1-benzyl-3-(propan-2-ylideneamino)urea

C11H15N3O — CID 2747682

IUPAC1-benzyl-3-(propan-2-ylideneamino)urea
SMILESCC(C)=NNC(=O)NCc1ccccc1
InChIInChI=1S/C11H15N3O/c1-9(2)13-14-11(15)12-8-10-6-4-3-5-7-10/h3-7H,8H2,1-2H3,(H2,12,14,15)
InChIKeyRIBQMWQHRBZVMP-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.88
Rot. Bonds3

About 1-benzyl-3-(propan-2-ylideneamino)urea

1-benzyl-3-(propan-2-ylideneamino)urea (PubChem CID 2747682) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-benzyl-3-(propan-2-ylideneamino)urea.

Molecular Properties

Compound Name1-benzyl-3-(propan-2-ylideneamino)urea
PubChem CID2747682
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name1-benzyl-3-(propan-2-ylideneamino)urea
SMILESCC(C)=NNC(=O)NCc1ccccc1
InChIInChI=1S/C11H15N3O/c1-9(2)13-14-11(15)12-8-10-6-4-3-5-7-10/h3-7H,8H2,1-2H3,(H2,12,14,15)
InChIKeyRIBQMWQHRBZVMP-UHFFFAOYSA-N
XLogP1.88
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-3-[(E)-1-(2,4-dihydroxy-3-methylphenyl)propylideneamino]urea
CID 146622142
1-benzyl-3-methylurea;ethane
CID 90763782
N-benzylacetamide;ethanamine
CID 22257034
N-benzylcarbamate;trimethylazanium
CID 66870081
N-(benzylcarbamoyl)carbamoyl chloride
CID 10443184
N-benzylacetamide;toluene
CID 175498463
4-[(benzylcarbamoylamino)methyl]benzoic acid
CID 61180965
1-benzyl-3-[2-(methylamino)ethyl]urea;hydrochloride
CID 155817741
1-benzyl-3-(2,3,3-trimethylbutan-2-yl)urea
CID 131211782
1-benzyl-3-(2-hydroxypropyl)urea
CID 103604143
1-benzyl-3-(1-hydroxy-3-methylbutan-2-yl)urea
CID 74321598
1-benzyl-3-(2-methylpropoxy)urea
CID 103829351

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(propan-2-ylideneamino)urea?
The IUPAC name of 1-benzyl-3-(propan-2-ylideneamino)urea (CID 2747682) is 1-benzyl-3-(propan-2-ylideneamino)urea.
What is the SMILES notation for 1-benzyl-3-(propan-2-ylideneamino)urea?
The canonical SMILES for 1-benzyl-3-(propan-2-ylideneamino)urea is CC(C)=NNC(=O)NCc1ccccc1.
What is the InChIKey of 1-benzyl-3-(propan-2-ylideneamino)urea?
The InChIKey is RIBQMWQHRBZVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-9(2)13-14-11(15)12-8-10-6-4-3-5-7-10/h3-7H,8H2,1-2H3,(H2,12,14,15).
What are the key properties of 1-benzyl-3-(propan-2-ylideneamino)urea?
1-benzyl-3-(propan-2-ylideneamino)urea has a molecular weight of 205.26 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(propan-2-ylideneamino)urea is sourced from PubChem (CID 2747682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).